[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate

C19H24FNO7 — CID 69270933

IUPAC[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](OC(=O)Nc3ccc(F)cc3)[C@H]2O1
InChIInChI=1S/C19H24FNO7/c1-18(2)23-9-12(26-18)13-14(15-16(24-13)28-19(3,4)27-15)25-17(22)21-11-7-5-10(20)6-8-11/h5-8,12-16H,9H2,1-4H3,(H,21,22)/t12-,13-,14+,15-,16-/m1/s1
InChIKeyPDGMNDCXYUAHEL-IBEHDNSVSA-N
MW397.40 g/mol
LogP2.77
Rot. Bonds3

About [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate

[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate (PubChem CID 69270933) has the molecular formula C19H24FNO7 and a molecular weight of 397.40 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate
PubChem CID69270933
Molecular FormulaC19H24FNO7
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC Name[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](OC(=O)Nc3ccc(F)cc3)[C@H]2O1
InChIInChI=1S/C19H24FNO7/c1-18(2)23-9-12(26-18)13-14(15-16(24-13)28-19(3,4)27-15)25-17(22)21-11-7-5-10(20)6-8-11/h5-8,12-16H,9H2,1-4H3,(H,21,22)/t12-,13-,14+,15-,16-/m1/s1
InChIKeyPDGMNDCXYUAHEL-IBEHDNSVSA-N
XLogP2.77
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate (CID 69270933) is [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](OC(=O)Nc3ccc(F)cc3)[C@H]2O1.
What is the InChIKey of [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate?
The InChIKey is PDGMNDCXYUAHEL-IBEHDNSVSA-N. The full InChI is InChI=1S/C19H24FNO7/c1-18(2)23-9-12(26-18)13-14(15-16(24-13)28-19(3,4)27-15)25-17(22)21-11-7-5-10(20)6-8-11/h5-8,12-16H,9H2,1-4H3,(H,21,22)/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate?
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate has a molecular weight of 397.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 69270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).